N-(3-Isothiocyatobenzyl)-4-[5-(4-methoxyphenyl)-2-oxazolyl]pyridiniumbromide

Catalog Number

ACM155862898-2

CAS

155862-89-8

IUPAC Name

2-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide

Molecular Weight

480.38

Molecular Formula

C23H18BrN3O2S

Canonical SMILES

COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC(=CC=C4)N=C=S.[Br-]

InChI

InChI=1S/C23H18N3O2S.BrH/c1-27-21-7-5-18(6-8-21)22-14-24-23(28-22)19-9-11-26(12-10-19)15-17-3-2-4-20(13-17)25-16-29;/h2-14H,15H2,1H3;1H/q+1;/p-1

InChI Key

InChI=1S/C23H18N3O2S.BrH/c1-27-21-7-5-18(6-8-21)22-14-24-23(28-22)19-9-11-26(12-10-19)15-17-3-2-4-20(13-17)25-16-29;/h2-14H,15H2,1H3;1H/q+1;/p-1

Purity

99%+

Appearance

Solid

Storage

Stored at -20 °C

• Catalog Number: ACM155862898-2
• CAS: 155862-89-8
• IUPAC Name: 2-[1-[(3-isothiocyanatophenyl)methyl]pyridin-1-ium-4-yl]-5-(4-methoxyphenyl)-1,3-oxazole;bromide
• Molecular Weight: 480.38
• Molecular Formula: C23H18BrN3O2S
• Canonical SMILES: COC1=CC=C(C=C1)C2=CN=C(O2)C3=CC=[N+](C=C3)CC4=CC(=CC=C4)N=C=S.[Br-]
• InChI: InChI=1S/C23H18N3O2S.BrH/c1-27-21-7-5-18(6-8-21)22-14-24-23(28-22)19-9-11-26(12-10-19)15-17-3-2-4-20(13-17)25-16-29;/h2-14H,15H2,1H3;1H/q+1;/p-1
• InChI Key: InChI=1S/C23H18N3O2S.BrH/c1-27-21-7-5-18(6-8-21)22-14-24-23(28-22)19-9-11-26(12-10-19)15-17-3-2-4-20(13-17)25-16-29;/h2-14H,15H2,1H3;1H/q+1;/p-1
• Purity: 99%+
• Appearance: Solid
• Storage: Stored at -20 °C